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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R,3'R,6'R)-3,3'-Dihydroxy-7',8'-dihydro-beta,epsilon-caroten-19',11'-olide
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Formula |
C40H54O4
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Molecular Weight |
598.832 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3R,3'R,6'R), 7',8'+H, 3-OH, 3'-OH, 19',11'-olide, beta,epsilon
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
10 including one lactone (10 in total)
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Number of
conjugated multiple bonds |
10 including one lactone (10 in total)
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Isomers |
Constitutional isomer: CA00185, CA00266, CA00296, CA00295, CA00345, CA00534, CA00508, CA00506, CA00565, CA00554, CA00507, CA00509, CA00742, CA00741
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.389
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
1
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| Complexity of molecule |
0.327
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| Number of heavy atoms |
44
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TPSA
(Topological Polar Surface Area) |
66.760 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
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References |
Ref.46: E. S. Egeland, R. R. L. Guillard, and S. Liaaen-Jensen, Phytochemistry, Vol. 44, No. 6, pp.1087-1097, 1997, "Additional carotenoid prototype representatices and general chemosystematic evaluation of carotenoids in prasinophyceae (chlorophyta)".
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CAS |
168781-49-5
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Links to other DB |
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